 | | Z6J | | Name: | alpha-L-ribofuranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(OC(O)C1O)CO | | InChi: | InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m0/s1 | | Synonyms: | alpha-L-ribose | | Definition date: | 2012-12-19 | | Last modified: | 2020-07-17 | | Release date: | 2014-05-28 | | Identifier: | alpha-L-ribofuranose |
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 | | TCB | | Name: | THIOCELLOBIOSE | | Formula: | C12 H22 O10 S | | SMILES: | S(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C12H22O10S/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 | | Definition date: | 2001-04-16 | | Last modified: | 2020-07-17 | | Identifier: | 4-S-beta-D-glucopyranosyl-4-thio-beta-D-glucopyranose |
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 | | Z6W | | Name: | (5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose | | Formula: | C14 H28 O6 | | SMILES: | OC1C(O)C(OC1(O)CO)CC(O)CCCCCCC | | InChi: | InChI=1S/C14H28O6/c1-2-3-4-5-6-7-10(16)8-11-12(17)13(18)14(19,9-15)20-11/h10-13,15-19H,2-9H2,1H3/t10-,11-,12-,13+,14-/m1/s1 | | Definition date: | 2012-12-17 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | (5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose |
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 | | VTB | | Name: | 7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose | | Formula: | C7 H15 O10 P | | SMILES: | OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4+,5+,6-,7+/m0/s1 | | Synonyms: | [(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate | | Definition date: | 2015-06-19 | | Last modified: | 2020-07-17 | | Release date: | 2015-10-14 | | Identifier: | [(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate |
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 | | TCG | | Name: | 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acety
lamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose | | Formula: | C33 H59 N4 O20 | | SMILES: | O=C(NC4C(O)C(OC3OC(CO)C(OC2OC(C(OC1OC(C(O)C(O)C1[N+](C)(C)C)CO)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)C(OC4O)CO)C | | InChi: | InChI=1S/C33H58N4O20/c1-11(42)34-18-23(46)27(15(8-39)51-30(18)50)55-31-19(35-12(2)43)24(47)28(16(9-40)53-31)56-32-20(36-13(3)44)25(48)29(17(10-41)54-32)57-33-21(37(4,5)6)26(49)22(45)14(7-38)52-33/h14-33,38-41,45-50H,7-10H2,1-6H3,(H2-,34,35,36,42,43,44)/p+1/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+/m1/s1 | | Synonyms: | TMG-chitotriomycin | | Definition date: | 2012-06-14 | | Last modified: | 2020-07-17 | | Release date: | 2013-01-11 | | Identifier: | 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose |
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 | | SIZ | | Name: | 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose | | Formula: | C8 H13 F2 N O6 | | SMILES: | OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O | | InChi: | InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8-/m1/s1 | | Synonyms: | N-DIFLUOROACETYL-D-GALACTOSAMINE | | Definition date: | 2015-12-14 | | Last modified: | 2020-07-17 | | Release date: | 2016-03-30 | | Identifier: | 2,2-bis(fluoranyl)-N-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide |
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 | | TRE | | Name: | TREHALOSE | | Formula: | C12 H22 O11 | | SMILES: | O2C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 | | Synonyms: | ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE | | Definition date: | 2000-04-19 | | Last modified: | 2020-07-17 | | Identifier: | alpha-D-glucopyranosyl alpha-D-glucopyranoside |
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 | | U63 | | Name: | 2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose | | Formula: | C12 H21 F O10 | | SMILES: | FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO | | InChi: | InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11-,12+/m1/s1 | | Definition date: | 2014-10-06 | | Last modified: | 2020-07-17 | | Release date: | 2015-01-14 | | Identifier: | 2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose |
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 | | W9T | | Name: | 4-O-beta-D-galactopyranosyl-beta-D-fructofuranose | | Formula: | C12 H22 O11 | | SMILES: | OC2C(OC1OC(CO)C(O)C(O)C1O)C(OC2(O)CO)CO | | InChi: | InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1 | | Definition date: | 2013-04-23 | | Last modified: | 2020-07-17 | | Release date: | 2014-03-19 | | Identifier: | 4-O-beta-D-galactopyranosyl-beta-D-fructofuranose |
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 | | YO5 | | Name: | (1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol | | Formula: | C7 H15 O8 P | | SMILES: | O=P(O)(O)CC1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+,7+/m1/s1 | | Synonyms: | Beta-1 phosphonomethylene-D-glucopyranose | | Definition date: | 2013-09-09 | | Last modified: | 2020-07-17 | | Release date: | 2014-07-16 | | Identifier: | (1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol |
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 | | TRV | | Name: | 6-O-octanoyl-beta-D-fructofuranose | | Formula: | C14 H26 O7 | | SMILES: | OC1(CO)C(O)C(O)C(COC(=O)CCCCCCC)O1 | | InChi: | InChI=1S/C14H26O7/c1-2-3-4-5-6-7-11(16)20-8-10-12(17)13(18)14(19,9-15)21-10/h10,12-13,15,17-19H,2-9H2,1H3/t10-,12-,13+,14-/m1/s1 | | Definition date: | 2020-03-30 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 6-O-octanoyl-beta-D-fructofuranose |
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 | | RCD | | Name: | gamma-cyclodextrin | | Formula: | C48 H80 O40 | | SMILES: | OC2C(O)C1OC9OC(CO)C(OC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(CO)C(OC3OC(CO)C(OC2OC1CO)C(O)C3O)C(O)C4O)C(O)C5O)CO)C(O)C6O)C(O)C7O)C(O)C8O)C(O)C9O | | InChi: | InChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1 | | Synonyms: | cyclo-octa-amylose | | Definition date: | 2011-02-11 | | Last modified: | 2020-07-17 | | Release date: | 2015-12-16 | | Identifier: | (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol (non-preferred name) |
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 | | Z8H | | Name: | beta-L-gulopyranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6-/m0/s1 | | Synonyms: | beta-L-gulose | | Definition date: | 2012-12-18 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | beta-L-gulopyranose |
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 | | O1G | | Name: | 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco
pyranose | | Formula: | C14 H22 N2 O13 P2 | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1/C=N/C2C(O)C(OC(O)C2O)COP(=O)(O)O)C | | InChi: | InChI=1S/C14H22N2O13P2/c1-6-11(17)8(7(2-15-6)4-27-30(21,22)23)3-16-10-12(18)9(5-28-31(24,25)26)29-14(20)13(10)19/h2-3,9-10,12-14,17-20H,4-5H2,1H3,(H2,21,22,23)(H2,24,25,26)/b16-3+/t9-,10+,12-,13-,14+/m1/s1 | | Synonyms: | 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco
se | | Definition date: | 2013-04-10 | | Last modified: | 2020-07-17 | | Release date: | 2013-10-16 | | Identifier: | 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco
pyranose |
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 | | TDG | | Name: | THIODIGALACTOSIDE | | Formula: | C12 H22 O10 S | | SMILES: | O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | beta-D-galactopyranosyl 1-thio-beta-D-galactopyranoside |
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 | | Z8T | | Name: | beta-L-glucopyranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m0/s1 | | Synonyms: | beta-L-glucose | | Definition date: | 2012-12-17 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | beta-L-glucopyranose |
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 | | TS8 | | Name: | 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose | | Formula: | C14 H20 O9 S | | SMILES: | O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C | | InChi: | InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1 | | Synonyms: | 3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL | | Definition date: | 2011-02-24 | | Last modified: | 2020-07-17 | | Identifier: | 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose |
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 | | ULV | | Name: | 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide | | Formula: | C26 H22 F3 N7 O3 | | SMILES: | n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc(C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N | | InChi: | InChI=1S/C26H22F3N7O3/c27-26(28,29)17-7-8-31-19(11-17)33-24(37)15-3-1-14(2-4-15)20-21-22(30)32-9-10-35(21)23(34-20)16-5-6-18-13-39-25(38)36(18)12-16/h1-4,7-11,16,18H,5-6,12-13H2,(H2,30,32)(H,31,33,37)/t16-,18+/m1/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide |
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 | | ULY | | Name: | 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide | | Formula: | C28 H26 F3 N7 O3 | | SMILES: | n1ccn2c(c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC)C(Nc6nccc(c6)C(F)(F)F)=O | | InChi: | InChI=1S/C28H26F3N7O3/c1-41-20-12-15(27(40)35-21-13-17(8-9-33-21)28(29,30)31)3-6-19(20)23-24-25(32)34-10-11-37(24)26(36-23)16-2-4-18-5-7-22(39)38(18)14-16/h3,6,8-13,16,18H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t16-,18+/m1/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide |
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 | | V01 | | Name: | N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide | | Formula: | C24 H21 N5 O4 | | SMILES: | O=C1Nc2c(OC1)cc(cc2)C(=O)N(Cc3ccc(cc3)C(Nc4ncncc4)=O)C5CC5 | | InChi: | InChI=1S/C24H21N5O4/c30-22-13-33-20-11-17(5-8-19(20)27-22)24(32)29(18-6-7-18)12-15-1-3-16(4-2-15)23(31)28-21-9-10-25-14-26-21/h1-5,8-11,14,18H,6-7,12-13H2,(H,27,30)(H,25,26,28,31) | | Definition date: | 2020-06-09 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide |
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 | | Z9D | | Name: | 4-deoxy-beta-D-xylo-hexopyranose | | Formula: | C6 H12 O5 | | SMILES: | OC1CC(OC(O)C1O)CO | | InChi: | InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6+/m0/s1 | | Definition date: | 2012-12-17 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 4-deoxy-beta-D-xylo-hexopyranose |
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 | | Z9E | | Name: | 1-thio-alpha-D-glucopyranose | | Formula: | C6 H12 O5 S | | SMILES: | OC1C(O)C(OC(S)C1O)CO | | InChi: | InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m1/s1 | | Definition date: | 2012-12-18 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 1-thio-alpha-D-glucopyranose |
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 | | UM4 | | Name: | 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide | | Formula: | C30 H28 F3 N7 O3 | | SMILES: | n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)=O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7CC7)N | | InChi: | InChI=1S/C30H28F3N7O3/c31-30(32,33)18-9-10-35-23(14-18)37-29(42)16-2-7-21(22(13-16)43-20-5-6-20)25-26-27(34)36-11-12-39(26)28(38-25)17-1-3-19-4-8-24(41)40(19)15-17/h2,7,9-14,17,19-20H,1,3-6,8,15H2,(H2,34,36)(H,35,37,42)/t17-,19+/m1/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide |
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 | | Z9H | | Name: | 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose | | Formula: | C8 H16 O12 S2 | | SMILES: | O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1OC | | InChi: | InChI=1S/C8H16O12S2/c1-16-5-4(3-18-21(10,11)12)19-8(9)7(6(5)17-2)20-22(13,14)15/h4-9H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)/t4-,5-,6+,7-,8+/m1/s1 | | Definition date: | 2012-12-17 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose |
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 | | Z9K | | Name: | 3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid | | Formula: | C7 H12 O10 S | | SMILES: | O=C(O)C1OC(O)C(OS(=O)(=O)O)C(OC)C1O | | InChi: | InChI=1S/C7H12O10S/c1-15-3-2(8)4(6(9)10)16-7(11)5(3)17-18(12,13)14/h2-5,7-8,11H,1H3,(H,9,10)(H,12,13,14)/t2-,3-,4+,5+,7+/m0/s1 | | Definition date: | 2012-12-18 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid |
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